8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane

C11H14N2O3S — CID 71795949

IUPAC8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cccnc1)N1C2CCC1COC2
InChIInChI=1S/C11H14N2O3S/c14-17(15,11-2-1-5-12-6-11)13-9-3-4-10(13)8-16-7-9/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyDSXCDLVDFZCCLJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.63
Rot. Bonds2

About 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane

8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 71795949) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID71795949
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cccnc1)N1C2CCC1COC2
InChIInChI=1S/C11H14N2O3S/c14-17(15,11-2-1-5-12-6-11)13-9-3-4-10(13)8-16-7-9/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyDSXCDLVDFZCCLJ-UHFFFAOYSA-N
XLogP0.63
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane (CID 71795949) is 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane is O=S(=O)(c1cccnc1)N1C2CCC1COC2.
What is the InChIKey of 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is DSXCDLVDFZCCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-17(15,11-2-1-5-12-6-11)13-9-3-4-10(13)8-16-7-9/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 254.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71795949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).